Geometry & MOs

Info

ID:	308062
PubChem CID:	125316803
Reduced:	Cl2N2O2C23H32 (1)
Stoich.:	A2B2C2D23E32 (1)
Weight, g/mol:	438.184084
ΔH_f, kcal/mol:	-91.93
Dipole, Da:	2.21
IP(EA), eV:	-8.63(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[4-[(1S)-2,2-dichlorocyclopropyl]phenoxy]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC[C@@H]1CCCN2[C@H]1CCCC2)OC3=CC=C(C=C3)[C@@H]4CC4(Cl)Cl

DOS

IR

Vibrations